#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot3 s LYS 13 N 0.00 1.98 0.34 -0.78 1.02 -1.26 -4.99 119.74 116.05 1ot3 s LYS 13 Ca 0.00 1.65 -0.26 0.00 0.02 0.00 0.00 55.97 57.38 1ot3 s LYS 13 Cb 0.00 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.39 1ot3 s LYS 13 CO 0.00 -1.93 1.02 -0.47 -0.92 0.00 0.00 175.35 173.04 1ot3 s TYR 14 N -2.20 3.50 -1.75 3.18 5.04 0.78 -3.27 117.35 122.64 1ot3 s TYR 14 Ca 0.71 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 57.06 1ot3 s TYR 14 Cb -0.26 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1ot3 s TYR 14 CO 0.48 -0.28 0.00 0.00 -1.34 0.00 0.00 175.55 174.42 1ot3 n ALA 15 N 0.45 -0.25 -2.70 3.97 0.00 -1.26 -1.36 120.51 119.36 1ot3 n ALA 15 Ca 0.02 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1ot3 n ALA 15 Cb 0.49 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 1ot3 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ot3 s GLU 16 N -3.37 4.51 -0.26 0.00 2.12 -1.20 -3.71 118.70 116.77 1ot3 s GLU 16 Ca 0.00 1.40 -0.01 0.00 0.36 0.00 0.00 54.97 56.72 1ot3 s GLU 16 Cb 0.00 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1ot3 s GLU 16 CO 0.00 -0.15 0.23 0.41 -0.54 0.00 0.00 175.26 175.21 1ot3 n GLY 17 N 2.98 0.56 0.00 -1.50 0.00 -1.26 -4.93 105.19 101.04 1ot3 n GLY 17 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ot3 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ot3 n THR 18 N -2.64 0.00 -4.21 2.61 -2.24 -1.24 -5.09 114.28 101.47 1ot3 n THR 18 Ca -0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 1ot3 n THR 18 Cb 0.52 1.16 -0.13 0.00 -2.10 0.00 0.00 70.33 69.79 1ot3 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ot3 s GLN 19 N 0.00 3.60 0.00 -0.78 -1.52 -1.26 -4.72 119.66 114.98 1ot3 s GLN 19 Ca 0.00 -0.54 0.00 0.00 -1.95 0.00 0.00 55.36 52.87 1ot3 s GLN 19 Cb 0.00 -2.99 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 1ot3 s GLN 19 CO 0.00 0.08 0.00 -0.35 -0.25 0.00 0.00 175.29 174.77 1ot3 n PRO 20 N 4.01 0.55 -1.94 2.91 -0.04 -1.26 -4.90 135.00 134.34 1ot3 n PRO 20 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1ot3 n PRO 20 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1ot3 n PRO 20 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ot3 s PHE 21 N -0.25 2.46 -0.10 0.54 5.36 -1.19 -4.82 117.98 119.99 1ot3 s PHE 21 Ca 0.00 0.35 0.03 0.00 -0.96 0.00 0.00 56.93 56.35 1ot3 s PHE 21 Cb 0.00 -3.95 -0.00 0.00 -0.34 0.00 0.00 43.02 38.72 1ot3 s PHE 21 CO 0.00 -3.80 -0.21 0.99 -1.46 0.00 0.00 175.22 170.73 1ot3 s THR 22 N 2.56 2.30 -0.17 0.12 2.01 -1.26 -0.23 115.64 120.97 1ot3 s THR 22 Ca 0.73 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 1ot3 s THR 22 Cb -0.40 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.21 1ot3 s THR 22 CO 0.32 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.99 1ot3 s VAL 23 N 0.28 2.82 -0.29 3.82 1.01 -0.38 -1.83 120.40 125.83 1ot3 s VAL 23 Ca -0.15 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1ot3 s VAL 23 Cb -0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1ot3 s VAL 23 CO 0.08 0.50 0.18 -0.76 0.00 0.00 0.00 175.10 175.09 1ot3 s LEU 24 N 0.99 4.04 -0.55 3.92 1.43 0.37 -0.63 118.68 128.25 1ot3 s LEU 24 Ca -0.02 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 1ot3 s LEU 24 Cb -0.15 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.04 1ot3 s LEU 24 CO -0.02 -0.10 0.84 -0.63 0.23 0.00 0.00 176.35 176.67 1ot3 s ILE 25 N 1.71 4.54 0.26 -0.59 -1.09 0.89 -1.15 121.20 125.77 1ot3 s ILE 25 Ca 0.06 -0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.47 1ot3 s ILE 25 Cb -0.16 -4.49 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 1ot3 s ILE 25 CO 0.09 -1.07 0.37 -1.61 -1.23 0.00 0.00 174.94 171.49 1ot3 s GLU 26 N 3.54 3.33 0.00 2.79 0.41 -0.73 -0.67 118.70 127.38 1ot3 s GLU 26 Ca 0.24 -0.84 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 1ot3 s GLU 26 Cb -0.15 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 1ot3 s GLU 26 CO 0.15 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.69 1ot3 n GLY 27 N -1.44 3.26 3.38 -1.39 0.00 -1.26 -1.88 105.19 105.86 1ot3 n GLY 27 Ca -0.07 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1ot3 n GLY 27 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ot3 n ASN 28 N 0.00 -2.15 -4.73 1.61 2.85 -1.26 -4.87 115.26 106.71 1ot3 n ASN 28 Ca 0.00 -0.21 -0.42 0.00 -0.11 0.00 0.00 54.58 53.84 1ot3 n ASN 28 Cb 0.00 -1.13 -0.03 0.00 1.24 0.00 0.00 39.78 39.86 1ot3 n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ot3 s ILE 29 N -2.32 2.87 -0.55 -1.44 1.01 -1.26 -3.19 121.20 116.31 1ot3 s ILE 29 Ca 0.64 0.68 -0.00 0.00 0.00 0.00 0.00 60.65 61.97 1ot3 s ILE 29 Cb -0.21 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 1ot3 s ILE 29 CO 0.66 0.08 0.46 0.61 0.00 0.00 0.00 174.94 176.75 1ot3 n GLY 30 N 2.89 0.05 0.35 6.18 0.00 -1.26 -4.74 105.19 108.65 1ot3 n GLY 30 Ca 0.09 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1ot3 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ot3 n SER 31 N -2.03 2.78 -0.60 1.61 3.41 -1.19 -4.35 113.62 113.24 1ot3 n SER 31 Ca -0.12 -2.77 -0.06 0.00 -0.26 0.00 0.00 58.87 55.66 1ot3 n SER 31 Cb 0.58 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1ot3 n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ot3 n GLY 32 N -0.81 0.40 0.30 5.00 0.00 -1.26 -4.95 105.19 103.88 1ot3 n GLY 32 Ca 0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1ot3 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ot3 h LYS 33 N 0.00 1.06 0.14 1.61 1.57 -1.93 -1.26 116.57 117.76 1ot3 h LYS 33 Ca -0.14 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1ot3 h LYS 33 Cb 0.83 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1ot3 h LYS 33 CO 0.17 1.02 -0.07 1.15 -0.57 0.00 0.00 179.45 181.16 1ot3 h THR 34 N 0.97 0.89 0.71 -0.16 2.02 -1.99 -2.57 112.91 112.78 1ot3 h THR 34 Ca 0.18 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1ot3 h THR 34 Cb 0.52 0.96 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1ot3 h THR 34 CO 0.02 0.02 -0.34 0.74 0.37 0.00 0.00 175.52 176.34 1ot3 h THR 35 N -0.23 0.30 -0.74 3.16 2.02 -1.96 -3.12 112.91 112.34 1ot3 h THR 35 Ca -0.02 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.23 1ot3 h THR 35 Cb 0.18 0.30 -0.11 0.00 -1.74 0.00 0.00 68.15 66.78 1ot3 h THR 35 CO 0.03 0.00 -0.53 0.22 0.37 0.00 0.00 175.52 175.61 1ot3 h TYR 36 N -0.97 -1.63 0.00 3.16 3.20 -1.23 0.45 116.97 119.94 1ot3 h TYR 36 Ca -0.10 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ot3 h TYR 36 Cb 0.73 0.81 0.00 0.00 1.54 0.00 0.00 36.73 39.82 1ot3 h TYR 36 CO -0.02 -0.42 0.00 1.28 -1.64 0.00 0.00 178.16 177.36 1ot3 n LEU 37 N -5.34 0.00 0.10 2.82 4.77 -0.97 -1.74 117.00 116.63 1ot3 n LEU 37 Ca 0.01 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1ot3 n LEU 37 Cb 0.32 -0.09 0.26 0.00 -2.33 0.00 0.00 43.42 41.57 1ot3 n LEU 37 CO -0.08 -0.08 0.59 0.78 -1.33 0.00 0.00 177.39 177.28 1ot3 h ASN 38 N 0.00 0.00 1.49 -1.43 2.35 -0.04 -3.23 115.58 114.72 1ot3 h ASN 38 Ca 0.00 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1ot3 h ASN 38 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1ot3 h ASN 38 CO 0.00 0.05 -0.05 0.45 -1.65 0.00 0.00 177.43 176.23 1ot3 h HIS 39 N 0.00 0.00 -0.33 1.19 3.86 -1.43 -2.68 115.15 115.76 1ot3 h HIS 39 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ot3 h HIS 39 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1ot3 h HIS 39 CO 0.00 0.05 0.00 1.19 0.86 0.00 0.00 177.93 180.03 1ot3 n PHE 40 N -3.13 0.44 0.08 2.45 3.01 -1.22 -4.13 117.46 114.96 1ot3 n PHE 40 Ca 0.02 -0.22 0.04 0.00 1.01 0.00 0.00 57.45 58.30 1ot3 n PHE 40 Cb 0.44 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.37 1ot3 n PHE 40 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1ot3 h GLU 41 N 2.46 0.36 0.00 -1.08 4.57 -1.63 -1.74 114.58 117.52 1ot3 h GLU 41 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1ot3 h GLU 41 Cb 0.55 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ot3 h GLU 41 CO 0.00 0.30 -0.03 0.87 -1.18 0.00 0.00 179.01 178.97 1ot3 h LYS 42 N 0.37 0.00 -1.21 1.92 1.57 -1.82 -3.17 116.57 114.23 1ot3 h LYS 42 Ca 0.09 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.42 1ot3 h LYS 42 Cb 0.07 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.17 1ot3 h LYS 42 CO -0.01 0.03 0.59 0.66 -0.57 0.00 0.00 179.45 180.15 1ot3 n TYR 43 N -3.13 2.28 0.38 -1.35 4.02 -0.65 -4.53 117.16 114.18 1ot3 n TYR 43 Ca 0.01 -2.20 0.13 0.00 -0.01 0.00 0.00 57.90 55.84 1ot3 n TYR 43 Cb 0.37 -1.07 0.53 0.00 -0.02 0.00 0.00 39.34 39.15 1ot3 n TYR 43 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ot3 h LYS 44 N 1.45 0.00 0.00 -0.72 1.79 -1.69 -0.35 116.57 117.05 1ot3 h LYS 44 Ca 0.44 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.85 1ot3 h LYS 44 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 1ot3 h LYS 44 CO 1.05 0.00 -1.40 0.09 -1.08 0.00 0.00 179.45 178.11 1ot3 n ASN 45 N -2.48 0.62 -0.00 0.86 5.03 -1.26 -4.49 115.26 113.53 1ot3 n ASN 45 Ca 0.02 0.25 0.03 0.00 0.87 0.00 0.00 54.58 55.75 1ot3 n ASN 45 Cb 0.27 0.76 -0.04 0.00 -1.02 0.00 0.00 39.78 39.75 1ot3 n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1ot3 n ASP 46 N -2.64 3.67 -4.25 6.41 10.43 -1.18 -5.01 116.55 123.99 1ot3 n ASP 46 Ca -0.05 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.01 1ot3 n ASP 46 Cb 0.65 1.22 -0.16 0.00 1.84 0.00 0.00 41.12 44.67 1ot3 n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ot3 s ILE 47 N -2.38 1.94 -0.51 0.53 1.01 -0.15 -3.98 121.20 117.66 1ot3 s ILE 47 Ca -0.02 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 1ot3 s ILE 47 Cb 0.04 -1.64 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1ot3 s ILE 47 CO 0.24 0.54 0.93 0.00 0.00 0.00 0.00 174.94 176.65 1ot3 s LEU 49 N 3.85 4.08 -0.25 0.00 1.98 -1.26 -0.87 118.68 126.21 1ot3 s LEU 49 Ca 0.34 0.36 0.01 0.00 -2.89 0.00 0.00 54.13 51.94 1ot3 s LEU 49 Cb -0.11 -2.43 0.07 0.00 0.66 0.00 0.00 46.19 44.37 1ot3 s LEU 49 CO 0.23 -0.13 -0.04 -0.76 -1.89 0.00 0.00 176.35 173.76 1ot3 s LEU 50 N 1.72 2.82 0.42 -0.68 1.43 -0.03 -4.98 118.68 119.39 1ot3 s LEU 50 Ca 0.16 -1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 51.91 1ot3 s LEU 50 Cb -0.15 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1ot3 s LEU 50 CO 0.09 -0.26 0.68 0.42 0.23 0.00 0.00 176.35 177.50 1ot3 s THR 51 N 1.34 4.92 0.23 5.49 -4.23 -1.26 -1.94 115.64 120.19 1ot3 s THR 51 Ca -0.03 -0.14 -0.31 0.00 -1.18 0.00 0.00 61.69 60.02 1ot3 s THR 51 Cb -0.19 -3.83 -0.14 0.00 1.34 0.00 0.00 72.50 69.68 1ot3 s THR 51 CO -0.08 -0.68 1.27 -0.62 -0.54 0.00 0.00 174.62 173.97 1ot3 n GLU 52 N -2.05 1.68 -0.03 3.99 1.02 -1.26 -4.78 120.64 119.21 1ot3 n GLU 52 Ca -0.02 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1ot3 n GLU 52 Cb 0.56 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1ot3 n GLU 52 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ot3 n PRO 53 N 1.67 0.37 -0.42 3.49 -0.02 -1.26 -4.32 135.00 134.51 1ot3 n PRO 53 Ca 0.12 0.00 0.35 0.00 -2.02 0.00 0.00 63.50 61.95 1ot3 n PRO 53 Cb 0.30 -1.32 0.66 0.00 -0.02 0.00 0.00 33.50 33.12 1ot3 n PRO 53 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ot3 h VAL 54 N 0.81 0.28 -0.10 -1.45 2.07 -2.00 0.70 116.25 116.56 1ot3 h VAL 54 Ca 0.00 -0.05 -0.20 0.00 0.82 0.00 0.00 66.70 67.28 1ot3 h VAL 54 Cb 0.37 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1ot3 h VAL 54 CO 0.00 0.02 -0.75 -0.33 0.02 0.00 0.00 177.57 176.54 1ot3 h GLU 55 N 0.13 0.54 -0.63 1.57 4.39 -1.98 -2.52 114.58 116.09 1ot3 h GLU 55 Ca 0.72 -0.45 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 1ot3 h GLU 55 Cb 2.38 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 31.10 1ot3 h GLU 55 CO -0.23 1.07 0.12 0.87 -1.16 0.00 0.00 179.01 179.68 1ot3 h LYS 56 N 0.37 1.01 0.00 2.33 1.57 0.03 -2.59 116.57 119.29 1ot3 h LYS 56 Ca -0.04 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1ot3 h LYS 56 Cb 1.34 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1ot3 h LYS 56 CO 0.14 0.92 -0.37 -1.49 -0.57 0.00 0.00 179.45 178.07 1ot3 h TRP 57 N 0.95 0.00 0.00 -1.35 6.55 -1.20 -3.00 115.95 117.90 1ot3 h TRP 57 Ca 0.20 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.91 1ot3 h TRP 57 Cb 0.39 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.67 1ot3 h TRP 57 CO 0.03 0.37 -0.62 0.00 -1.05 0.00 0.00 178.44 177.17 1ot3 h ARG 58 N 0.00 0.00 -2.44 0.49 3.08 -1.09 -2.13 114.38 112.29 1ot3 h ARG 58 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.45 1ot3 h ARG 58 Cb 0.76 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.41 1ot3 h ARG 58 CO 0.05 0.62 -0.86 -1.71 -1.07 0.00 0.00 179.97 177.00 1ot3 n ASN 59 N -3.34 1.04 -4.34 7.04 5.15 -1.01 -3.33 115.26 116.47 1ot3 n ASN 59 Ca 0.01 -2.78 -0.44 0.00 -0.60 0.00 0.00 54.58 50.77 1ot3 n ASN 59 Cb 0.75 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1ot3 n ASN 59 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1ot3 n VAL 60 N 2.07 4.25 -2.17 3.44 0.31 0.76 -4.32 118.33 122.68 1ot3 n VAL 60 Ca 0.26 -4.62 -0.20 0.00 -0.01 0.00 0.00 64.34 59.76 1ot3 n VAL 60 Cb 0.45 -2.44 -0.03 0.00 -0.91 0.00 0.00 33.84 30.91 1ot3 n VAL 60 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ot3 n ASN 61 N 5.40 -5.67 0.00 4.52 3.02 -1.26 -2.58 115.26 118.69 1ot3 n ASN 61 Ca 0.38 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1ot3 n ASN 61 Cb 0.41 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 1ot3 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ot3 n GLY 62 N -0.82 1.29 3.82 7.41 0.00 -1.26 -5.11 105.19 110.51 1ot3 n GLY 62 Ca -0.23 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1ot3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ot3 s VAL 63 N -0.58 4.73 -0.99 1.61 1.01 -1.07 -4.91 120.40 120.20 1ot3 s VAL 63 Ca 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 1ot3 s VAL 63 Cb 0.00 -3.85 0.27 0.00 0.00 0.00 0.00 36.38 32.80 1ot3 s VAL 63 CO 0.00 0.40 1.10 -3.20 0.00 0.00 0.00 175.10 173.40 1ot3 n ASN 64 N 1.26 5.25 -0.34 3.32 2.85 -1.21 -0.17 115.26 126.22 1ot3 n ASN 64 Ca -0.07 -3.23 0.20 0.00 -0.11 0.00 0.00 54.58 51.37 1ot3 n ASN 64 Cb 0.51 -1.18 0.42 0.00 1.24 0.00 0.00 39.78 40.77 1ot3 n ASN 64 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ot3 h LEU 65 N 5.81 0.62 -0.06 1.20 3.38 -1.63 -0.69 115.31 123.94 1ot3 h LEU 65 Ca 0.18 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1ot3 h LEU 65 Cb 0.75 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1ot3 h LEU 65 CO 1.05 0.02 -0.08 0.25 0.09 0.00 0.00 178.44 179.77 1ot3 h LEU 66 N 0.49 -0.23 -0.30 1.67 5.85 -1.89 0.02 115.31 120.91 1ot3 h LEU 66 Ca 0.68 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.38 1ot3 h LEU 66 Cb 1.39 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1ot3 h LEU 66 CO -0.52 -0.11 -0.05 -0.08 -0.34 0.00 0.00 178.44 177.33 1ot3 h GLU 67 N -0.11 0.56 0.00 1.25 4.81 -1.50 -2.86 114.58 116.73 1ot3 h GLU 67 Ca 0.05 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1ot3 h GLU 67 Cb 0.18 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1ot3 h GLU 67 CO -0.12 0.75 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.75 1ot3 h LEU 68 N 0.34 0.00 -0.08 1.64 3.38 -1.02 -1.50 115.31 118.07 1ot3 h LEU 68 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1ot3 h LEU 68 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ot3 h LEU 68 CO 0.03 0.08 -0.39 -0.03 0.09 0.00 0.00 178.44 178.22 1ot3 h MET 69 N 0.00 0.40 0.00 1.13 4.05 -0.80 -0.03 114.93 119.68 1ot3 h MET 69 Ca -0.00 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1ot3 h MET 69 Cb 0.22 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1ot3 h MET 69 CO 0.01 0.97 0.00 0.66 0.23 0.00 0.00 176.91 178.78 1ot3 n TYR 70 N -4.35 0.00 -0.08 1.39 0.53 -0.92 -1.57 117.16 112.15 1ot3 n TYR 70 Ca -0.08 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.72 1ot3 n TYR 70 Cb 0.54 -0.37 -0.12 0.00 -1.03 0.00 0.00 39.34 38.37 1ot3 n TYR 70 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1ot3 n LYS 71 N -1.37 1.47 -2.98 -0.72 4.81 -0.61 -4.80 118.16 113.97 1ot3 n LYS 71 Ca 0.09 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.38 1ot3 n LYS 71 Cb 0.22 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1ot3 n LYS 71 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ot3 n ASP 72 N -2.59 -1.01 -0.28 3.14 -0.08 -0.03 -5.02 116.55 110.68 1ot3 n ASP 72 Ca -0.25 -3.14 0.09 0.00 -1.51 0.00 0.00 54.79 49.97 1ot3 n ASP 72 Cb 0.98 0.56 0.22 0.00 2.34 0.00 0.00 41.12 45.22 1ot3 n ASP 72 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ot3 h PRO 73 N 3.55 0.16 0.00 -0.67 0.11 -1.46 0.31 132.00 134.00 1ot3 h PRO 73 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ot3 h PRO 73 Cb 0.99 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1ot3 h PRO 73 CO 0.37 0.11 0.00 1.63 -0.21 0.00 0.00 178.00 179.89 1ot3 n LYS 74 N -5.28 0.19 0.00 1.05 5.02 -1.25 -1.66 118.16 116.23 1ot3 n LYS 74 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1ot3 n LYS 74 Cb 0.57 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1ot3 n LYS 74 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ot3 n LYS 75 N -0.94 1.35 0.00 1.97 4.81 0.03 -4.87 118.16 120.50 1ot3 n LYS 75 Ca 0.04 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.53 1ot3 n LYS 75 Cb 0.02 -0.78 0.03 0.00 0.02 0.00 0.00 35.03 34.31 1ot3 n LYS 75 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1ot3 n TRP 76 N -1.63 0.00 -0.18 5.64 7.02 -0.78 -4.59 117.44 122.93 1ot3 n TRP 76 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1ot3 n TRP 76 Cb 0.28 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.18 1ot3 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ot3 h ALA 77 N 2.02 0.65 0.88 6.99 0.00 -1.53 0.66 119.26 128.93 1ot3 h ALA 77 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1ot3 h ALA 77 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ot3 h ALA 77 CO 0.00 0.21 -0.47 1.98 0.00 0.00 0.00 179.25 180.97 1ot3 h MET 78 N 0.67 -1.19 -0.45 0.00 1.85 -1.81 -0.41 114.93 113.60 1ot3 h MET 78 Ca 0.17 0.08 -0.04 0.00 -0.61 0.00 0.00 59.70 59.30 1ot3 h MET 78 Cb 0.11 0.27 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 1ot3 h MET 78 CO -0.02 -0.79 0.10 -1.00 -0.40 0.00 0.00 176.91 174.79 1ot3 h PRO 79 N -1.24 0.67 0.48 0.39 0.13 -1.82 -2.07 132.00 128.55 1ot3 h PRO 79 Ca -0.12 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1ot3 h PRO 79 Cb 0.96 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ot3 h PRO 79 CO 0.17 0.62 -0.23 0.35 -0.23 0.00 0.00 178.00 178.67 1ot3 h PHE 80 N 0.65 -0.60 0.00 1.56 3.57 -0.78 -1.50 116.94 119.84 1ot3 h PHE 80 Ca 0.15 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ot3 h PHE 80 Cb 0.26 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1ot3 h PHE 80 CO 0.01 -0.33 -0.05 1.96 -2.23 0.00 0.00 178.31 177.66 1ot3 h GLN 81 N -0.74 0.00 -0.30 1.11 1.08 -0.98 -0.33 115.11 114.95 1ot3 h GLN 81 Ca -0.07 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.00 1ot3 h GLN 81 Cb 0.54 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1ot3 h GLN 81 CO 0.11 0.05 -0.32 1.03 -0.95 0.00 0.00 178.83 178.75 1ot3 h SER 82 N 0.00 0.80 0.83 1.46 0.87 -1.10 -1.15 113.55 115.26 1ot3 h SER 82 Ca -0.00 -0.48 -0.10 0.00 -1.23 0.00 0.00 61.79 59.98 1ot3 h SER 82 Cb 0.11 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1ot3 h SER 82 CO 0.01 1.11 -0.49 0.22 -0.53 0.00 0.00 176.83 177.15 1ot3 h TYR 83 N 0.50 0.00 0.42 2.24 3.20 -0.54 -2.22 116.97 120.57 1ot3 h TYR 83 Ca 0.04 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1ot3 h TYR 83 Cb 0.90 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1ot3 h TYR 83 CO 0.07 0.49 -0.20 0.28 -1.64 0.00 0.00 178.16 177.17 1ot3 h VAL 84 N 0.00 0.53 -0.78 1.81 2.07 -0.89 0.59 116.25 119.58 1ot3 h VAL 84 Ca -0.00 -0.45 0.17 0.00 0.82 0.00 0.00 66.70 67.24 1ot3 h VAL 84 Cb 1.04 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 1ot3 h VAL 84 CO 0.06 0.07 0.23 0.74 0.02 0.00 0.00 177.57 178.70 1ot3 h THR 85 N -0.84 0.51 -0.08 2.57 2.02 -1.13 0.12 112.91 116.07 1ot3 h THR 85 Ca -0.06 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1ot3 h THR 85 Cb 0.55 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1ot3 h THR 85 CO 0.09 0.06 0.03 0.25 0.37 0.00 0.00 175.52 176.32 1ot3 h LEU 86 N 0.31 0.11 -2.26 2.58 5.85 -1.22 -1.80 115.31 118.88 1ot3 h LEU 86 Ca 0.45 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1ot3 h LEU 86 Cb 0.78 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1ot3 h LEU 86 CO -0.51 0.26 -0.05 0.71 -0.34 0.00 0.00 178.44 178.51 1ot3 h THR 87 N -0.04 0.33 -0.01 1.05 1.35 0.37 -1.89 112.91 114.08 1ot3 h THR 87 Ca 0.03 -0.28 -0.20 0.00 -0.55 0.00 0.00 66.41 65.40 1ot3 h THR 87 Cb 0.19 1.21 0.02 0.00 -1.73 0.00 0.00 68.15 67.83 1ot3 h THR 87 CO -0.00 0.05 -0.78 0.24 -0.25 0.00 0.00 175.52 174.77 1ot3 h MET 88 N 0.00 0.54 -0.64 4.72 2.86 -0.33 -3.16 114.93 118.92 1ot3 h MET 88 Ca -0.00 -0.58 -0.07 0.00 -2.06 0.00 0.00 59.70 57.00 1ot3 h MET 88 Cb 0.20 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1ot3 h MET 88 CO 0.01 1.20 0.15 -0.07 1.06 0.00 0.00 176.91 179.25 1ot3 h LEU 89 N 0.12 0.98 -1.59 1.22 3.38 -0.70 -0.20 115.31 118.52 1ot3 h LEU 89 Ca -0.10 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1ot3 h LEU 89 Cb 1.47 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1ot3 h LEU 89 CO 0.15 0.96 0.39 1.56 0.09 0.00 0.00 178.44 181.60 1ot3 h GLN 90 N 0.95 0.48 0.17 1.13 4.20 -1.43 0.12 115.11 120.71 1ot3 h GLN 90 Ca 0.20 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.59 1ot3 h GLN 90 Cb 0.38 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1ot3 h GLN 90 CO 0.00 0.31 -1.39 0.77 -0.67 0.00 0.00 178.83 177.86 1ot3 h SER 91 N 0.49 0.55 -0.06 1.46 0.02 -1.45 -0.15 113.55 114.41 1ot3 h SER 91 Ca 0.26 -0.91 -0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1ot3 h SER 91 Cb 0.38 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ot3 h SER 91 CO -0.07 1.63 0.04 0.45 -1.14 0.00 0.00 176.83 177.74 1ot3 h HIS 92 N -0.13 0.08 -0.01 3.45 3.86 -0.56 -1.90 115.15 119.93 1ot3 h HIS 92 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1ot3 h HIS 92 Cb 1.90 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.34 1ot3 h HIS 92 CO 0.14 0.06 -0.32 0.25 0.86 0.00 0.00 177.93 178.91 1ot3 n THR 93 N -4.52 0.00 -1.55 2.45 -2.24 0.36 -4.65 114.28 104.12 1ot3 n THR 93 Ca -0.02 -0.34 -0.49 0.00 -2.27 0.00 0.00 64.05 60.93 1ot3 n THR 93 Cb 0.09 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.48 1ot3 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ot3 n ALA 94 N -0.07 -1.20 -1.77 6.98 0.00 -0.07 -4.90 120.51 119.48 1ot3 n ALA 94 Ca 0.07 0.47 -0.39 0.00 0.00 0.00 0.00 53.44 53.59 1ot3 n ALA 94 Cb 0.34 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1ot3 n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ot3 s PRO 95 N -0.51 4.10 0.16 0.00 0.04 -1.26 -4.99 135.00 132.54 1ot3 s PRO 95 Ca 0.72 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 63.45 1ot3 s PRO 95 Cb -0.88 -2.75 0.06 0.00 0.04 0.00 0.00 34.50 30.97 1ot3 s PRO 95 CO 0.54 -0.30 0.71 -0.08 0.04 0.00 0.00 177.00 177.90 1ot3 s THR 96 N -1.35 0.00 0.00 1.26 -1.32 -1.26 -5.05 115.64 107.92 1ot3 s THR 96 Ca 0.56 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 1ot3 s THR 96 Cb -0.33 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 1ot3 s THR 96 CO 0.42 0.00 0.48 -0.46 -2.21 0.00 0.00 174.62 172.84 1ot3 n ASN 97 N -0.39 0.90 -4.79 8.08 6.94 -1.26 -4.99 115.26 119.76 1ot3 n ASN 97 Ca -0.11 -1.15 -0.30 0.00 -0.02 0.00 0.00 54.58 53.00 1ot3 n ASN 97 Cb 0.63 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.15 1ot3 n ASN 97 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ot3 s LYS 98 N -0.15 1.75 0.00 -3.83 -0.14 -1.26 -4.98 119.74 111.13 1ot3 s LYS 98 Ca 0.00 0.57 0.24 0.00 -1.36 0.00 0.00 55.97 55.41 1ot3 s LYS 98 Cb 0.00 -1.89 0.26 0.00 -1.68 0.00 0.00 37.83 34.53 1ot3 s LYS 98 CO 0.00 -1.84 1.25 1.63 -0.76 0.00 0.00 175.35 175.63 1ot3 n LYS 99 N -3.57 0.14 -3.79 1.68 4.76 -1.26 -4.69 118.16 111.44 1ot3 n LYS 99 Ca 0.07 -0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.29 1ot3 n LYS 99 Cb 0.57 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.14 1ot3 n LYS 99 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ot3 s LEU 100 N -2.93 1.07 -0.02 -0.35 2.96 -1.26 -3.14 118.68 115.01 1ot3 s LEU 100 Ca 0.12 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1ot3 s LEU 100 Cb 0.17 0.84 0.00 0.00 0.50 0.00 0.00 46.19 47.70 1ot3 s LEU 100 CO 0.73 -0.09 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.83 1ot3 s LYS 101 N 0.12 1.02 -0.17 1.98 2.20 0.68 -0.93 119.74 124.65 1ot3 s LYS 101 Ca -0.00 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1ot3 s LYS 101 Cb -0.02 -0.95 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 1ot3 s LYS 101 CO 0.00 0.15 -0.15 0.42 -0.36 0.00 0.00 175.35 175.41 1ot3 s ILE 102 N 0.10 2.59 -0.08 5.43 1.01 -0.05 -1.25 121.20 128.96 1ot3 s ILE 102 Ca -0.02 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1ot3 s ILE 102 Cb -0.08 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1ot3 s ILE 102 CO 0.00 0.51 -0.21 -0.04 0.00 0.00 0.00 174.94 175.21 1ot3 s MET 103 N 0.98 2.77 -0.32 2.79 -1.94 0.20 -0.85 119.30 122.93 1ot3 s MET 103 Ca -0.02 -0.82 -0.22 0.00 -1.71 0.00 0.00 55.69 52.91 1ot3 s MET 103 Cb -0.15 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.38 1ot3 s MET 103 CO -0.03 0.37 0.74 -2.00 -0.01 0.00 0.00 175.02 174.09 1ot3 s GLU 104 N -0.11 3.90 0.44 2.03 2.12 -0.82 -0.08 118.70 126.19 1ot3 s GLU 104 Ca -0.04 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.73 1ot3 s GLU 104 Cb -0.14 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.50 1ot3 s GLU 104 CO 0.04 -0.68 0.00 0.54 -0.54 0.00 0.00 175.26 174.62 1ot3 n ARG 105 N 6.15 -2.70 -0.08 4.30 5.12 0.16 -4.31 116.66 125.30 1ot3 n ARG 105 Ca 0.02 2.07 0.00 0.00 -1.93 0.00 0.00 57.85 58.01 1ot3 n ARG 105 Cb 0.48 -3.20 0.00 0.00 -1.16 0.00 0.00 32.46 28.58 1ot3 n ARG 105 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1ot3 n SER 106 N -4.02 0.00 0.10 0.55 3.41 -1.26 -4.73 113.62 107.67 1ot3 n SER 106 Ca -0.05 -0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.60 1ot3 n SER 106 Cb 0.57 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1ot3 n SER 106 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1ot3 h ILE 107 N 0.05 0.16 -0.26 -1.33 2.10 -1.95 -3.26 117.51 113.02 1ot3 h ILE 107 Ca 0.00 -1.29 -0.18 0.00 1.08 0.00 0.00 64.86 64.47 1ot3 h ILE 107 Cb 0.00 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1ot3 h ILE 107 CO 0.00 0.09 -0.56 -0.26 -1.08 0.00 0.00 178.15 176.34 1ot3 h PHE 108 N 0.00 1.06 -0.31 2.19 -1.00 -1.99 -2.47 116.94 114.42 1ot3 h PHE 108 Ca -0.04 -0.39 -0.17 0.00 2.81 0.00 0.00 57.97 60.17 1ot3 h PHE 108 Cb 1.16 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 40.52 1ot3 h PHE 108 CO 0.00 1.22 -0.49 0.66 -1.61 0.00 0.00 178.31 178.08 1ot3 h SER 109 N 0.60 0.95 -0.79 2.17 4.64 -1.97 0.73 113.55 119.87 1ot3 h SER 109 Ca 0.00 -0.48 0.04 0.00 -0.47 0.00 0.00 61.79 60.89 1ot3 h SER 109 Cb 1.17 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.94 1ot3 h SER 109 CO 0.12 1.27 0.50 0.00 -0.87 0.00 0.00 176.83 177.85 1ot3 h ALA 110 N 0.75 1.06 0.21 5.18 0.00 -1.59 0.18 119.26 125.05 1ot3 h ALA 110 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ot3 h ALA 110 Cb 1.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ot3 h ALA 110 CO 0.11 0.28 -0.10 -0.09 0.00 0.00 0.00 179.25 179.45 1ot3 h ARG 111 N 0.95 -0.27 0.00 0.00 2.43 -1.33 0.15 114.38 116.31 1ot3 h ARG 111 Ca 0.33 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 1ot3 h ARG 111 Cb 0.07 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1ot3 h ARG 111 CO -0.14 -0.18 -0.17 1.88 -1.51 0.00 0.00 179.97 179.85 1ot3 h TYR 112 N -0.83 0.00 0.00 2.20 0.99 -0.89 -2.88 116.97 115.56 1ot3 h TYR 112 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1ot3 h TYR 112 Cb 0.21 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.94 1ot3 h TYR 112 CO 0.02 0.17 0.00 0.00 -0.00 0.00 0.00 178.16 178.35 1ot3 h PHE 114 N 0.00 -1.16 -0.68 0.00 -1.00 -1.55 0.38 116.94 112.94 1ot3 h PHE 114 Ca 0.00 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1ot3 h PHE 114 Cb 0.00 0.42 -0.07 0.00 3.61 0.00 0.00 35.95 39.92 1ot3 h PHE 114 CO 0.00 -0.63 0.33 0.28 -1.61 0.00 0.00 178.31 176.68 1ot3 h VAL 115 N -1.01 0.87 -0.82 -0.55 2.07 -0.81 0.14 116.25 116.14 1ot3 h VAL 115 Ca -0.08 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1ot3 h VAL 115 Cb 0.83 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1ot3 h VAL 115 CO 0.04 0.11 0.43 -0.08 0.02 0.00 0.00 177.57 178.09 1ot3 h GLU 116 N 0.59 1.15 -0.24 1.57 4.57 -1.37 -2.21 114.58 118.65 1ot3 h GLU 116 Ca 0.33 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1ot3 h GLU 116 Cb 0.32 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1ot3 h GLU 116 CO -0.25 0.86 -0.04 -0.97 -1.18 0.00 0.00 179.01 177.43 1ot3 h ASN 117 N 1.16 0.44 0.26 1.04 -0.00 0.22 -2.65 115.58 116.05 1ot3 h ASN 117 Ca 0.29 -0.35 0.00 0.00 -0.00 0.00 0.00 56.30 56.24 1ot3 h ASN 117 Cb 0.05 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.25 1ot3 h ASN 117 CO -0.04 0.68 0.00 0.24 -0.00 0.00 0.00 177.43 178.31 1ot3 h MET 118 N 0.19 0.00 0.00 6.67 2.86 -0.76 -1.16 114.93 122.73 1ot3 h MET 118 Ca 0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1ot3 h MET 118 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1ot3 h MET 118 CO 0.02 0.00 -0.18 -0.09 1.06 0.00 0.00 176.91 177.72 1ot3 h ARG 119 N 0.00 0.12 -0.24 1.72 2.43 -1.05 0.23 114.38 117.59 1ot3 h ARG 119 Ca 0.00 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1ot3 h ARG 119 Cb 0.13 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1ot3 h ARG 119 CO 0.00 0.90 0.10 0.00 -1.51 0.00 0.00 179.97 179.46 1ot3 h ARG 120 N -0.60 0.35 -0.09 0.20 3.08 -1.12 -2.48 114.38 113.71 1ot3 h ARG 120 Ca -0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ot3 h ARG 120 Cb 0.97 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1ot3 h ARG 120 CO 0.04 0.38 0.00 0.27 -1.07 0.00 0.00 179.97 179.58 1ot3 n ASN 121 N -4.81 0.09 0.00 7.04 2.04 -0.53 -4.85 115.26 114.24 1ot3 n ASN 121 Ca -0.03 -1.68 0.00 0.00 -0.44 0.00 0.00 54.58 52.43 1ot3 n ASN 121 Cb 0.12 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 1ot3 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ot3 n GLY 122 N 0.31 0.23 0.28 4.83 0.00 -0.94 -4.88 105.19 105.03 1ot3 n GLY 122 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ot3 n GLY 122 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ot3 h SER 123 N 0.00 0.84 -3.58 1.61 0.02 -1.21 -3.39 113.55 107.84 1ot3 h SER 123 Ca 0.00 -0.11 -0.67 0.00 -0.84 0.00 0.00 61.79 60.17 1ot3 h SER 123 Cb 0.51 -0.22 -0.25 0.00 0.14 0.00 0.00 62.40 62.58 1ot3 h SER 123 CO 0.00 0.72 -0.64 -0.76 -1.14 0.00 0.00 176.83 175.01 1ot3 s LEU 124 N -9.91 3.61 0.76 5.07 1.43 0.59 -3.75 118.68 116.48 1ot3 s LEU 124 Ca -0.13 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1ot3 s LEU 124 Cb 0.14 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.54 1ot3 s LEU 124 CO 0.79 -0.13 1.14 -1.61 0.23 0.00 0.00 176.35 176.77 1ot3 s GLU 125 N 1.52 2.15 0.25 1.70 2.02 -1.26 -4.54 118.70 120.55 1ot3 s GLU 125 Ca 0.04 1.45 -0.10 0.00 0.02 0.00 0.00 54.97 56.38 1ot3 s GLU 125 Cb -0.16 -1.86 0.36 0.00 0.10 0.00 0.00 34.13 32.56 1ot3 s GLU 125 CO 0.02 -1.76 1.60 0.37 0.02 0.00 0.00 175.26 175.50 1ot3 h GLN 126 N -0.72 0.01 -0.31 1.61 5.75 -1.96 -1.38 115.11 118.10 1ot3 h GLN 126 Ca -0.45 -0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.10 1ot3 h GLN 126 Cb 1.26 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.76 1ot3 h GLN 126 CO 0.50 0.00 -0.02 0.78 -2.65 0.00 0.00 178.83 177.44 1ot3 h GLY 127 N 0.01 0.29 1.57 2.39 0.00 -2.00 -1.62 103.07 103.70 1ot3 h GLY 127 Ca 0.40 0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.64 1ot3 h GLY 127 CO -0.83 -0.08 -0.47 -0.33 0.00 0.00 0.00 176.54 174.83 1ot3 h MET 128 N 0.07 0.47 -0.69 4.80 2.86 -1.67 -2.97 114.93 117.80 1ot3 h MET 128 Ca 0.15 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1ot3 h MET 128 Cb 0.21 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1ot3 h MET 128 CO -0.27 0.84 0.15 -0.92 1.06 0.00 0.00 176.91 177.77 1ot3 h TYR 129 N 0.38 1.17 -0.67 -0.22 3.20 -1.06 -2.62 116.97 117.15 1ot3 h TYR 129 Ca 0.02 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 1ot3 h TYR 129 Cb 0.96 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1ot3 h TYR 129 CO 0.03 0.97 0.23 -0.91 -1.64 0.00 0.00 178.16 176.84 1ot3 h ASN 130 N 1.04 0.93 0.17 -2.11 2.35 -1.18 -1.14 115.58 115.63 1ot3 h ASN 130 Ca 0.21 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1ot3 h ASN 130 Cb 0.40 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1ot3 h ASN 130 CO 0.01 0.85 -0.08 0.74 -1.65 0.00 0.00 177.43 177.29 1ot3 h THR 131 N 0.97 0.87 -0.74 2.81 2.02 -1.36 0.55 112.91 118.04 1ot3 h THR 131 Ca 0.22 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.29 1ot3 h THR 131 Cb 0.24 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1ot3 h THR 131 CO -0.01 0.04 0.42 -0.07 0.37 0.00 0.00 175.52 176.27 1ot3 h LEU 132 N -0.32 0.63 0.11 2.58 3.38 -1.30 -0.83 115.31 119.56 1ot3 h LEU 132 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ot3 h LEU 132 Cb 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ot3 h LEU 132 CO 0.04 0.39 -0.05 -0.33 0.09 0.00 0.00 178.44 178.58 1ot3 h GLU 133 N 0.76 -0.14 -0.98 1.13 4.39 -0.87 -1.36 114.58 117.51 1ot3 h GLU 133 Ca 0.33 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.18 1ot3 h GLU 133 Cb 0.22 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.82 1ot3 h GLU 133 CO -0.19 -0.05 0.62 0.93 -1.16 0.00 0.00 179.01 179.16 1ot3 h GLU 134 N -0.20 0.86 -0.69 2.33 4.39 -0.30 0.71 114.58 121.68 1ot3 h GLU 134 Ca -0.01 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1ot3 h GLU 134 Cb 0.16 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1ot3 h GLU 134 CO 0.02 0.57 0.29 -1.49 -1.16 0.00 0.00 179.01 177.24 1ot3 h TRP 135 N 0.88 1.03 -0.74 4.33 4.06 -0.64 -2.20 115.95 122.68 1ot3 h TRP 135 Ca 0.50 -0.07 -0.06 0.00 2.06 0.00 0.00 58.89 61.32 1ot3 h TRP 135 Cb 0.62 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 1ot3 h TRP 135 CO -0.00 0.79 0.23 1.88 -3.56 0.00 0.00 178.44 177.78 1ot3 h TYR 136 N 0.97 1.19 -0.14 0.49 0.99 0.19 -0.77 116.97 119.89 1ot3 h TYR 136 Ca 0.23 -0.12 -0.07 0.00 2.00 0.00 0.00 58.73 60.77 1ot3 h TYR 136 Cb 0.18 -0.34 -0.01 0.00 1.00 0.00 0.00 36.73 37.56 1ot3 h TYR 136 CO 0.01 0.93 -0.24 0.87 -0.00 0.00 0.00 178.16 179.74 1ot3 h LYS 137 N 1.10 0.25 -0.02 4.88 1.57 -0.83 -2.69 116.57 120.82 1ot3 h LYS 137 Ca 0.24 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 1ot3 h LYS 137 Cb 0.31 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1ot3 h LYS 137 CO -0.01 0.48 -0.67 0.35 -0.57 0.00 0.00 179.45 179.03 1ot3 h PHE 138 N 0.22 0.71 -0.74 -1.35 3.57 -0.94 -3.31 116.94 115.11 1ot3 h PHE 138 Ca 0.04 -0.37 0.07 0.00 3.53 0.00 0.00 57.97 61.23 1ot3 h PHE 138 Cb 0.55 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1ot3 h PHE 138 CO 0.01 1.19 0.42 0.82 -2.23 0.00 0.00 178.31 178.52 1ot3 h ILE 139 N 0.03 0.97 0.00 1.41 2.04 -1.04 -1.38 117.51 119.54 1ot3 h ILE 139 Ca -0.08 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ot3 h ILE 139 Cb 1.36 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1ot3 h ILE 139 CO 0.13 0.14 0.00 -1.84 0.00 0.00 0.00 178.15 176.58 1ot3 n GLU 140 N -4.75 0.34 0.00 2.37 0.28 -1.03 -0.63 120.64 117.23 1ot3 n GLU 140 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1ot3 n GLU 140 Cb 0.20 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.80 1ot3 n GLU 140 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ot3 n GLU 141 N -0.76 0.32 0.00 3.44 1.02 -0.55 -4.83 120.64 119.28 1ot3 n GLU 141 Ca 0.04 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 1ot3 n GLU 141 Cb 0.02 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1ot3 n GLU 141 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ot3 n SER 142 N -0.08 2.37 -4.40 1.62 7.64 -0.68 -4.84 113.62 115.25 1ot3 n SER 142 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1ot3 n SER 142 Cb 0.29 0.13 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 1ot3 n SER 142 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ot3 s ILE 143 N -1.53 2.84 -0.12 0.44 1.01 0.20 -0.15 121.20 123.89 1ot3 s ILE 143 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 1ot3 s ILE 143 Cb 0.00 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1ot3 s ILE 143 CO 0.00 0.56 0.71 -2.28 0.00 0.00 0.00 174.94 173.94 1ot3 s HIS 144 N -0.24 3.49 -0.31 3.97 5.65 -0.46 -4.56 115.29 122.83 1ot3 s HIS 144 Ca 0.01 1.17 0.01 0.00 0.25 0.00 0.00 55.06 56.50 1ot3 s HIS 144 Cb -0.13 -2.85 0.07 0.00 -1.18 0.00 0.00 32.58 28.49 1ot3 s HIS 144 CO 0.03 -0.05 -0.00 0.08 -0.65 0.00 0.00 174.74 174.14 1ot3 s VAL 145 N 1.39 2.55 0.03 0.89 1.01 -1.26 -4.72 120.40 120.30 1ot3 s VAL 145 Ca 0.36 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 1ot3 s VAL 145 Cb -0.17 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1ot3 s VAL 145 CO 0.15 -0.28 1.66 -1.58 0.00 0.00 0.00 175.10 175.05 1ot3 s GLN 146 N 1.09 4.19 -0.42 2.72 2.00 -1.26 -4.94 119.66 123.04 1ot3 s GLN 146 Ca -0.01 2.30 0.07 0.00 -2.00 0.00 0.00 55.36 55.72 1ot3 s GLN 146 Cb -0.20 -3.74 0.24 0.00 0.80 0.00 0.00 33.01 30.11 1ot3 s GLN 146 CO -0.05 -0.77 0.52 0.00 -0.50 0.00 0.00 175.29 174.49 1ot3 n ALA 147 N 6.11 2.64 0.02 1.58 0.00 -1.26 -4.82 120.51 124.78 1ot3 n ALA 147 Ca 0.16 -3.51 -0.10 0.00 0.00 0.00 0.00 53.44 49.99 1ot3 n ALA 147 Cb 0.41 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1ot3 n ALA 147 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ot3 h ASP 148 N 4.22 -0.12 -4.57 0.00 3.32 -1.86 -3.41 116.42 114.00 1ot3 h ASP 148 Ca 0.11 -0.44 -0.25 0.00 0.02 0.00 0.00 57.03 56.46 1ot3 h ASP 148 Cb 0.86 0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.21 1ot3 h ASP 148 CO 0.49 0.51 -0.73 -0.22 -1.72 0.00 0.00 179.24 177.57 1ot3 s LEU 149 N -8.80 2.18 -0.18 1.55 2.96 -0.76 -4.42 118.68 111.20 1ot3 s LEU 149 Ca -0.13 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1ot3 s LEU 149 Cb -0.00 -0.11 0.04 0.00 0.50 0.00 0.00 46.19 46.62 1ot3 s LEU 149 CO 0.47 -0.16 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.63 1ot3 s ILE 150 N -1.05 1.39 -0.60 6.68 1.01 -1.20 -0.48 121.20 126.96 1ot3 s ILE 150 Ca -0.08 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 1ot3 s ILE 150 Cb -0.08 -1.52 0.08 0.00 0.01 0.00 0.00 42.46 40.96 1ot3 s ILE 150 CO -0.00 0.14 0.79 -0.63 0.00 0.00 0.00 174.94 175.24 1ot3 s ILE 151 N 1.51 4.65 -0.67 2.92 1.01 -0.30 -0.23 121.20 130.09 1ot3 s ILE 151 Ca -0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 1ot3 s ILE 151 Cb -0.16 -4.53 0.06 0.00 0.01 0.00 0.00 42.46 37.84 1ot3 s ILE 151 CO -0.08 -1.19 1.04 -0.47 0.00 0.00 0.00 174.94 174.24 1ot3 s TYR 152 N 3.18 2.59 -1.35 3.97 5.04 -0.66 -1.77 117.35 128.36 1ot3 s TYR 152 Ca 0.16 -0.37 -0.13 0.00 -2.44 0.00 0.00 57.07 54.29 1ot3 s TYR 152 Cb -0.21 -4.36 -0.03 0.00 0.35 0.00 0.00 41.96 37.71 1ot3 s TYR 152 CO 0.09 -1.73 2.37 1.28 -1.34 0.00 0.00 175.55 176.22 1ot3 n LEU 153 N 8.10 6.77 -4.75 6.97 4.77 -0.79 -2.25 117.00 135.82 1ot3 n LEU 153 Ca -0.02 -3.89 -0.42 0.00 -0.03 0.00 0.00 56.01 51.66 1ot3 n LEU 153 Cb 0.46 -1.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 1ot3 n LEU 153 CO 0.66 1.09 1.21 -1.14 -1.33 0.00 0.00 177.39 177.89 1ot3 n ARG 154 N 5.38 2.66 0.00 3.23 0.63 -1.25 -4.66 116.66 122.65 1ot3 n ARG 154 Ca 0.58 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 58.46 1ot3 n ARG 154 Cb 0.32 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.52 1ot3 n ARG 154 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1ot3 n THR 155 N 1.86 0.00 -4.06 5.15 -2.24 -1.26 -4.56 114.28 109.17 1ot3 n THR 155 Ca 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1ot3 n THR 155 Cb 0.37 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 1ot3 n THR 155 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ot3 s SER 156 N 1.12 0.43 0.33 3.42 1.04 -1.26 -5.03 113.70 113.75 1ot3 s SER 156 Ca 0.00 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.43 1ot3 s SER 156 Cb 0.00 -0.04 1.00 0.00 0.10 0.00 0.00 66.02 67.08 1ot3 s SER 156 CO 0.00 0.02 1.62 -0.65 0.98 0.00 0.00 173.24 175.21 1ot3 h PRO 157 N 5.92 0.15 -0.16 4.02 0.11 -1.96 0.36 132.00 140.43 1ot3 h PRO 157 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1ot3 h PRO 157 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ot3 h PRO 157 CO 0.50 0.10 -0.10 0.93 -0.21 0.00 0.00 178.00 179.21 1ot3 h GLU 158 N 0.16 0.36 -0.49 1.05 3.07 -1.95 0.92 114.58 117.70 1ot3 h GLU 158 Ca 0.69 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 59.29 1ot3 h GLU 158 Cb 1.59 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.48 1ot3 h GLU 158 CO -0.72 0.70 -0.06 0.28 -1.40 0.00 0.00 179.01 177.81 1ot3 h VAL 159 N 0.02 1.26 -0.28 3.13 2.07 -1.46 -0.93 116.25 120.07 1ot3 h VAL 159 Ca 0.03 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 1ot3 h VAL 159 Cb 0.60 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1ot3 h VAL 159 CO 0.03 0.40 -0.27 0.00 0.02 0.00 0.00 177.57 177.74 1ot3 h ALA 160 N 1.14 1.01 -0.44 1.67 0.00 -0.31 -2.68 119.26 119.65 1ot3 h ALA 160 Ca 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ot3 h ALA 160 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ot3 h ALA 160 CO 0.03 0.59 0.20 -0.92 0.00 0.00 0.00 179.25 179.15 1ot3 h TYR 161 N 0.48 0.65 -0.49 0.00 3.20 -0.22 -2.77 116.97 117.81 1ot3 h TYR 161 Ca 0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ot3 h TYR 161 Cb 0.72 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1ot3 h TYR 161 CO 0.03 0.54 0.32 0.93 -1.64 0.00 0.00 178.16 178.33 1ot3 h GLU 162 N 0.57 0.66 -0.06 1.82 5.08 -0.93 -2.19 114.58 119.52 1ot3 h GLU 162 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ot3 h GLU 162 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1ot3 h GLU 162 CO -0.02 0.45 0.03 0.00 -1.00 0.00 0.00 179.01 178.47 1ot3 h ARG 163 N 0.66 0.06 -0.18 2.33 3.08 -1.38 0.24 114.38 119.19 1ot3 h ARG 163 Ca 0.18 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.28 1ot3 h ARG 163 Cb -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1ot3 h ARG 163 CO -0.04 0.04 0.14 0.82 -1.07 0.00 0.00 179.97 179.86 1ot3 h ILE 164 N 0.06 0.88 0.00 2.04 2.04 -1.36 -0.12 117.51 121.06 1ot3 h ILE 164 Ca 0.02 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.69 1ot3 h ILE 164 Cb 0.01 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1ot3 h ILE 164 CO -0.02 0.00 -1.29 -0.09 0.00 0.00 0.00 178.15 176.75 1ot3 h ARG 165 N 0.00 0.00 -0.07 2.37 2.43 -0.77 -3.34 114.38 115.00 1ot3 h ARG 165 Ca 0.09 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.05 1ot3 h ARG 165 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ot3 h ARG 165 CO -0.00 0.44 -0.80 1.96 -1.51 0.00 0.00 179.97 180.06 1ot3 h GLN 166 N 0.00 0.49 0.00 0.20 1.08 0.68 -3.45 115.11 114.11 1ot3 h GLN 166 Ca -0.15 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.61 1ot3 h GLN 166 Cb 1.67 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.20 1ot3 h GLN 166 CO 0.07 1.07 0.00 0.54 -0.95 0.00 0.00 178.83 179.56 1ot3 n ARG 167 N -3.83 0.29 -3.08 1.46 1.74 -0.18 -5.03 116.66 108.03 1ot3 n ARG 167 Ca -0.06 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.86 1ot3 n ARG 167 Cb 0.75 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.19 1ot3 n ARG 167 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ot3 n ALA 168 N -3.00 1.35 -1.24 7.54 0.00 -1.26 -5.03 120.51 118.86 1ot3 n ALA 168 Ca 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1ot3 n ALA 168 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1ot3 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot3 n ARG 169 N 0.40 2.62 0.09 0.00 5.12 -1.26 -5.09 116.66 118.54 1ot3 n ARG 169 Ca 0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1ot3 n ARG 169 Cb 0.66 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.96 1ot3 n ARG 169 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ot3 n SER 170 N 0.00 -1.65 0.01 0.55 2.88 -1.26 -4.88 113.62 109.26 1ot3 n SER 170 Ca 0.00 0.52 -0.12 0.00 -1.33 0.00 0.00 58.87 57.94 1ot3 n SER 170 Cb 0.00 1.77 -0.09 0.00 -0.75 0.00 0.00 64.21 65.14 1ot3 n SER 170 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1ot3 h GLU 171 N 0.00 -0.09 0.04 -1.46 5.08 -1.98 -3.37 114.58 112.81 1ot3 h GLU 171 Ca 0.00 0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1ot3 h GLU 171 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1ot3 h GLU 171 CO 0.00 0.46 -1.51 1.05 -1.00 0.00 0.00 179.01 178.01 1ot3 h GLU 172 N -0.73 0.09 -3.55 2.33 4.11 -1.96 -3.40 114.58 111.47 1ot3 h GLU 172 Ca -0.01 -0.16 -0.48 0.00 0.07 0.00 0.00 59.36 58.78 1ot3 h GLU 172 Cb 0.59 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.92 1ot3 h GLU 172 CO 0.02 0.84 2.80 -1.13 0.07 0.00 0.00 179.01 181.61 1ot3 n SER 173 N -3.27 5.15 -0.45 3.06 3.41 -1.26 -2.84 113.62 117.42 1ot3 n SER 173 Ca -0.14 -2.44 -0.01 0.00 -0.26 0.00 0.00 58.87 56.02 1ot3 n SER 173 Cb 1.02 -1.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1ot3 n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ot3 s VAL 175 N 0.00 5.41 0.54 0.00 -7.23 -1.13 -5.08 120.40 112.90 1ot3 s VAL 175 Ca 0.00 0.25 -0.21 0.00 -1.81 0.00 0.00 61.98 60.22 1ot3 s VAL 175 Cb 0.00 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 1ot3 s VAL 175 CO 0.00 0.55 1.22 -2.84 -0.31 0.00 0.00 175.10 173.72 1ot3 s PRO 176 N -1.23 3.27 0.27 4.82 0.02 -1.26 -4.92 135.00 135.97 1ot3 s PRO 176 Ca 0.19 1.88 -0.00 0.00 0.02 0.00 0.00 61.00 63.09 1ot3 s PRO 176 Cb -0.13 -2.14 0.54 0.00 0.02 0.00 0.00 34.50 32.79 1ot3 s PRO 176 CO 0.08 -0.98 1.80 1.25 -0.33 0.00 0.00 177.00 178.83 1ot3 h LEU 177 N 1.38 0.73 -1.06 -5.54 5.85 -1.98 -0.16 115.31 114.53 1ot3 h LEU 177 Ca -0.50 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.43 1ot3 h LEU 177 Cb 1.28 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1ot3 h LEU 177 CO 0.57 0.35 0.62 0.50 -0.34 0.00 0.00 178.44 180.14 1ot3 h LYS 178 N 0.80 0.86 0.33 1.25 3.64 -1.99 -0.65 116.57 120.81 1ot3 h LYS 178 Ca 0.48 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1ot3 h LYS 178 Cb 0.57 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1ot3 h LYS 178 CO -0.31 0.57 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.36 1ot3 h TYR 179 N 0.89 -0.41 0.00 1.91 3.20 -1.38 -1.13 116.97 120.04 1ot3 h TYR 179 Ca 0.51 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.37 1ot3 h TYR 179 Cb 0.63 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 1ot3 h TYR 179 CO -0.00 -0.24 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.20 1ot3 h LEU 180 N -0.47 0.00 -0.10 2.82 3.38 -1.24 -1.25 115.31 118.45 1ot3 h LEU 180 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1ot3 h LEU 180 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ot3 h LEU 180 CO 0.07 0.01 -0.67 1.56 0.09 0.00 0.00 178.44 179.50 1ot3 h GLN 181 N 0.00 0.63 -0.54 1.13 4.20 -0.58 -1.84 115.11 118.11 1ot3 h GLN 181 Ca -0.00 -0.55 -0.04 0.00 0.06 0.00 0.00 58.65 58.12 1ot3 h GLN 181 Cb 0.02 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1ot3 h GLN 181 CO 0.00 1.16 0.18 0.93 -0.67 0.00 0.00 178.83 180.43 1ot3 h GLU 182 N 0.28 0.83 -0.00 1.46 5.08 -0.41 -0.97 114.58 120.85 1ot3 h GLU 182 Ca -0.06 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1ot3 h GLU 182 Cb 1.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1ot3 h GLU 182 CO 0.14 0.76 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.58 1ot3 h LEU 183 N 0.74 0.00 -0.15 1.33 3.38 -1.27 -2.65 115.31 116.71 1ot3 h LEU 183 Ca 0.17 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1ot3 h LEU 183 Cb 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ot3 h LEU 183 CO -0.01 0.25 -0.33 -0.74 0.09 0.00 0.00 178.44 177.71 1ot3 h HIS 184 N 0.00 0.61 -0.05 1.13 2.76 -0.70 -2.56 115.15 116.34 1ot3 h HIS 184 Ca -0.00 -0.23 0.02 0.00 -2.20 0.00 0.00 60.37 57.96 1ot3 h HIS 184 Cb 0.45 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 1ot3 h HIS 184 CO 0.00 0.95 -0.10 0.93 -1.30 0.00 0.00 177.93 178.41 1ot3 h GLU 185 N 0.10 -0.14 -0.84 5.26 4.39 -0.92 -0.77 114.58 121.66 1ot3 h GLU 185 Ca 0.00 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1ot3 h GLU 185 Cb 0.93 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 1ot3 h GLU 185 CO 0.07 -0.10 0.55 -0.07 -1.16 0.00 0.00 179.01 178.30 1ot3 h LEU 186 N -0.15 0.92 -0.59 1.33 3.38 -1.54 0.16 115.31 118.82 1ot3 h LEU 186 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ot3 h LEU 186 Cb 0.22 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ot3 h LEU 186 CO -0.14 0.65 0.31 0.45 0.09 0.00 0.00 178.44 179.81 1ot3 h HIS 187 N 1.09 0.82 -0.38 1.13 3.86 -1.14 -0.92 115.15 119.61 1ot3 h HIS 187 Ca 0.32 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1ot3 h HIS 187 Cb -0.06 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 1ot3 h HIS 187 CO -0.02 0.60 0.15 0.93 0.86 0.00 0.00 177.93 180.46 1ot3 h GLU 188 N 0.80 0.57 0.00 2.45 4.39 -0.38 0.46 114.58 122.86 1ot3 h GLU 188 Ca 0.21 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ot3 h GLU 188 Cb 0.06 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ot3 h GLU 188 CO -0.03 0.55 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.91 1ot3 h ASP 189 N 0.47 0.00 0.02 1.42 5.19 -0.46 0.31 116.42 123.37 1ot3 h ASP 189 Ca 0.13 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.15 1ot3 h ASP 189 Cb 0.19 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 1ot3 h ASP 189 CO -0.01 0.02 -2.32 1.87 -3.12 0.00 0.00 179.24 175.68 1ot3 n TRP 190 N -3.14 0.30 0.74 4.55 -0.00 -0.37 -3.94 117.44 115.57 1ot3 n TRP 190 Ca -0.01 0.08 0.10 0.00 -0.00 0.00 0.00 57.50 57.68 1ot3 n TRP 190 Cb 0.23 -1.04 0.11 0.00 -0.00 0.00 0.00 31.31 30.61 1ot3 n TRP 190 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1ot3 n LEU 191 N -3.61 2.84 0.07 5.87 4.77 0.15 -4.60 117.00 122.49 1ot3 n LEU 191 Ca -0.44 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1ot3 n LEU 191 Cb 0.95 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1ot3 n LEU 191 CO 0.23 0.52 0.00 -0.38 -1.33 0.00 0.00 177.39 176.43 1ot3 n ILE 192 N 1.19 0.26 0.69 -0.08 2.08 0.75 -4.85 119.36 119.40 1ot3 n ILE 192 Ca 0.13 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.53 1ot3 n ILE 192 Cb 0.53 -0.67 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 1ot3 n ILE 192 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1ot3 n HIS 193 N -3.11 0.00 0.00 1.39 8.25 0.73 -5.00 115.22 117.48 1ot3 n HIS 193 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1ot3 n HIS 193 Cb 0.00 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1ot3 n HIS 193 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1ot3 n GLN 194 N 0.35 0.00 0.00 -0.41 7.27 -1.25 -4.92 117.38 118.41 1ot3 n GLN 194 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1ot3 n GLN 194 Cb 0.24 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.89 1ot3 n GLN 194 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ot3 s LYS 201 N 0.00 4.28 -0.16 0.00 1.02 -1.26 -4.98 119.74 118.63 1ot3 s LYS 201 Ca 0.00 0.95 -0.05 0.00 0.02 0.00 0.00 55.97 56.89 1ot3 s LYS 201 Cb 0.00 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1ot3 s LYS 201 CO 0.00 0.30 0.01 0.08 -0.92 0.00 0.00 175.35 174.81 1ot3 s VAL 202 N -1.67 4.29 -0.68 3.17 1.01 -1.26 -3.22 120.40 122.03 1ot3 s VAL 202 Ca 0.48 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 1ot3 s VAL 202 Cb -0.15 -2.90 0.16 0.00 0.00 0.00 0.00 36.38 33.49 1ot3 s VAL 202 CO 0.20 0.48 0.66 -0.22 0.00 0.00 0.00 175.10 176.23 1ot3 s LEU 203 N 0.32 6.26 -0.93 3.92 2.96 0.69 -4.95 118.68 126.94 1ot3 s LEU 203 Ca -0.01 -2.11 -0.24 0.00 -0.22 0.00 0.00 54.13 51.56 1ot3 s LEU 203 Cb -0.13 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.34 1ot3 s LEU 203 CO 0.02 -0.79 1.58 -0.69 -1.32 0.00 0.00 176.35 175.15 1ot3 s VAL 204 N 1.23 3.74 -0.80 1.68 1.01 -1.26 -1.65 120.40 124.35 1ot3 s VAL 204 Ca 0.11 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 1ot3 s VAL 204 Cb -0.20 -4.70 0.11 0.00 0.00 0.00 0.00 36.38 31.58 1ot3 s VAL 204 CO -0.02 -1.61 1.02 -0.76 0.00 0.00 0.00 175.10 173.74 1ot3 s LEU 205 N 6.65 4.88 0.00 3.92 1.43 -0.95 -4.80 118.68 129.80 1ot3 s LEU 205 Ca 0.52 -1.63 0.23 0.00 -1.03 0.00 0.00 54.13 52.22 1ot3 s LEU 205 Cb -0.04 -2.39 0.53 0.00 0.03 0.00 0.00 46.19 44.32 1ot3 s LEU 205 CO -0.02 -1.19 1.45 -0.67 0.23 0.00 0.00 176.35 176.14 1ot3 n ASP 206 N 6.90 2.68 -3.22 2.29 -0.08 -1.26 -3.79 116.55 120.07 1ot3 n ASP 206 Ca 0.11 -1.87 -0.28 0.00 -1.51 0.00 0.00 54.79 51.23 1ot3 n ASP 206 Cb 0.47 -0.14 -0.02 0.00 2.34 0.00 0.00 41.12 43.77 1ot3 n ASP 206 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ot3 n ALA 207 N 1.01 5.83 0.00 -1.67 0.00 -1.26 -5.02 120.51 119.40 1ot3 n ALA 207 Ca 0.17 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1ot3 n ALA 207 Cb 0.50 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.81 1ot3 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25